[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid

C14H16BrN3O2 — CID 141368702

IUPAC[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-8(2)12(18-14(19)20)13-16-7-11(17-13)9-3-5-10(15)6-4-9/h3-8,12,18H,1-2H3,(H,16,17)(H,19,20)/t12-/m0/s1
InChIKeyAWVIYOSZSJPDFH-LBPRGKRZSA-N
MW338.21 g/mol
LogP3.80
Rot. Bonds4

About [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid

[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid (PubChem CID 141368702) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
PubChem CID141368702
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-8(2)12(18-14(19)20)13-16-7-11(17-13)9-3-5-10(15)6-4-9/h3-8,12,18H,1-2H3,(H,16,17)(H,19,20)/t12-/m0/s1
InChIKeyAWVIYOSZSJPDFH-LBPRGKRZSA-N
XLogP3.80
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1S)-2-methyl-1-[5-[4-[4-[2-[2-methyl-1-(3-methylbutanoylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]butanamide
CID 130279050
[(2S)-1-[[(1R)-1-[5-[4-[4-[2-[(1R)-1-[[(2S)-2-(carboxyamino)-4-methoxybutanoyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-4-methoxy-1-oxobutan-2-yl]carbamic acid
CID 69257495
(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
CID 99791201
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 59347645
methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate
CID 143848514
methyl N-[(2S,3R)-1-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]amino]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130401000
methyl 3-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]benzoate
CID 99791199
N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 91651576
4-acetyl-N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]benzenesulfonamide
CID 102563477
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
methyl N-[1-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(2S)-2-cyanopropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130415079
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
The IUPAC name of [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid (CID 141368702) is [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
The canonical SMILES for [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid is CC(C)[C@H](NC(=O)O)c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
The InChIKey is AWVIYOSZSJPDFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8(2)12(18-14(19)20)13-16-7-11(17-13)9-3-5-10(15)6-4-9/h3-8,12,18H,1-2H3,(H,16,17)(H,19,20)/t12-/m0/s1.
What are the key properties of [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid has a molecular weight of 338.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid is sourced from PubChem (CID 141368702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).